N-(2-fluorophenyl)-2-(5-methoxy-2'-oxospiro[2H-furo[3,2-b]pyridine-3,3'-indole]-1'-yl)acetamide

C23H18FN3O4 — CID 25065330

IUPACN-(2-fluorophenyl)-2-(5-methoxy-2'-oxospiro[2H-furo[3,2-b]pyridine-3,3'-indole]-1'-yl)acetamide
SMILESCOc1ccc2c(n1)C1(CO2)C(=O)N(CC(=O)Nc2ccccc2F)c2ccccc21
InChIInChI=1S/C23H18FN3O4/c1-30-20-11-10-18-21(26-20)23(13-31-18)14-6-2-5-9-17(14)27(22(23)29)12-19(28)25-16-8-4-3-7-15(16)24/h2-11H,12-13H2,1H3,(H,25,28)
InChIKeyQIEDCQMCHGKLFL-UHFFFAOYSA-N
MW419.41 g/mol
LogP2.89
Rot. Bonds4

About N-(2-fluorophenyl)-2-(5-methoxy-2'-oxospiro[2H-furo[3,2-b]pyridine-3,3'-indole]-1'-yl)acetamide

N-(2-fluorophenyl)-2-(5-methoxy-2'-oxospiro[2H-furo[3,2-b]pyridine-3,3'-indole]-1'-yl)acetamide (PubChem CID 25065330) has the molecular formula C23H18FN3O4 and a molecular weight of 419.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(5-methoxy-2'-oxospiro[2H-furo[3,2-b]pyridine-3,3'-indole]-1'-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(5-methoxy-2'-oxospiro[2H-furo[3,2-b]pyridine-3,3'-indole]-1'-yl)acetamide
PubChem CID25065330
Molecular FormulaC23H18FN3O4
Molecular Weight419.41 g/mol
Exact Mass419.13
IUPAC NameN-(2-fluorophenyl)-2-(5-methoxy-2'-oxospiro[2H-furo[3,2-b]pyridine-3,3'-indole]-1'-yl)acetamide
SMILESCOc1ccc2c(n1)C1(CO2)C(=O)N(CC(=O)Nc2ccccc2F)c2ccccc21
InChIInChI=1S/C23H18FN3O4/c1-30-20-11-10-18-21(26-20)23(13-31-18)14-6-2-5-9-17(14)27(22(23)29)12-19(28)25-16-8-4-3-7-15(16)24/h2-11H,12-13H2,1H3,(H,25,28)
InChIKeyQIEDCQMCHGKLFL-UHFFFAOYSA-N
XLogP2.89
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(5-methoxy-2'-oxospiro[2H-furo[3,2-b]pyridine-3,3'-indole]-1'-yl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(5-methoxy-2'-oxospiro[2H-furo[3,2-b]pyridine-3,3'-indole]-1'-yl)acetamide (CID 25065330) is N-(2-fluorophenyl)-2-(5-methoxy-2'-oxospiro[2H-furo[3,2-b]pyridine-3,3'-indole]-1'-yl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(5-methoxy-2'-oxospiro[2H-furo[3,2-b]pyridine-3,3'-indole]-1'-yl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(5-methoxy-2'-oxospiro[2H-furo[3,2-b]pyridine-3,3'-indole]-1'-yl)acetamide is COc1ccc2c(n1)C1(CO2)C(=O)N(CC(=O)Nc2ccccc2F)c2ccccc21.
What is the InChIKey of N-(2-fluorophenyl)-2-(5-methoxy-2'-oxospiro[2H-furo[3,2-b]pyridine-3,3'-indole]-1'-yl)acetamide?
The InChIKey is QIEDCQMCHGKLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4/c1-30-20-11-10-18-21(26-20)23(13-31-18)14-6-2-5-9-17(14)27(22(23)29)12-19(28)25-16-8-4-3-7-15(16)24/h2-11H,12-13H2,1H3,(H,25,28).
What are the key properties of N-(2-fluorophenyl)-2-(5-methoxy-2'-oxospiro[2H-furo[3,2-b]pyridine-3,3'-indole]-1'-yl)acetamide?
N-(2-fluorophenyl)-2-(5-methoxy-2'-oxospiro[2H-furo[3,2-b]pyridine-3,3'-indole]-1'-yl)acetamide has a molecular weight of 419.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(5-methoxy-2'-oxospiro[2H-furo[3,2-b]pyridine-3,3'-indole]-1'-yl)acetamide is sourced from PubChem (CID 25065330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).